7MI1
X-ray structure of yeast dynein motor domain in the presence of a pyrazolo-pyrimidinone-based compound (compound 20)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.92009 |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 135.065, 157.917, 179.309 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.660 - 4.500 |
R-factor | 0.2795 |
Rwork | 0.276 |
R-free | 0.31970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ai6 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.574 |
Data reduction software | XDS (20180319) |
Data scaling software | XSCALE (20180319) |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.660 | 4.770 |
High resolution limit [Å] | 4.500 | 4.500 |
Number of reflections | 23226 | |
<I/σ(I)> | 5.99 | 1.13 |
Completeness [%] | 99.5 | 98.3 |
Redundancy | 6.8 | 6.5 |
CC(1/2) | 0.995 | 0.484 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 100 mM Bis-Tris pH 6.9, 200 mM sodium acetate, 12% PEG 3350, and 10 mM TCEP |